(1S,2S)-2-[[2-(5-ethyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1S,2S)-2-[[2-(5-ethyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2S)-2-[[2-(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]carbamoyl]cyclohexanecarboxylate CAS Name: (1S,2S)-2-[[[2-(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-methyl-3-pyrazolyl]amino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2S)-2-[[2-(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2S)-2-[[2-(5-ethyl-4-keto-6-methyl-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]carbamoyl]cyclohexanecarboxylate Formula: C19H24N5O4- MolecularWeight: 386.42496

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)N2C(=CC(=N2)C)NC(=O)C3CCCCC3C(=O)[O-])C

Isomeric SMILES

CCC1=C(NC(=NC1=O)N2C(=CC(=N2)C)NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])C

InChI

InChI=1S/C19H25N5O4/c1-4-12-11(3)20-19(22-16(12)25)24-15(9-10(2)23-24)21-17(26)13-7-5-6-8-14(13)18(27)28/h9,13-14H,4-8H2,1-3H3,(H,21,26)(H,27,28)(H,20,22,25)/p-1/t13-,14-/m0/s1